Crystallography Open Database

Information card for entry 1548350

Preview

Coordinates	1548350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al2 Co1.224 H10.954 O20 P4
Calculated formula	Al2 Co1.224 H10.956 O20 P4
Title of publication	Hydrogen positions in single nanocrystals revealed by electron diffraction
Authors of publication	Palatinus, Lukáš; Brázda, Petr; Boullay, Philippe; Perez, Olivier; Klementová, Mariana; Petit, Sebastien; Eigner, Václav; Zaarour, Moussa; Mintova, Svetlana
Journal of publication	Science
Year of publication	2017
Journal volume	355
Journal issue	6321
Pages of publication	166 - 169
a	8.395 ± 0.005 Å
b	16.3 ± 0.03 Å
c	5.033 ± 0.007 Å
α	90°
β	90.44 ± 0.11°
γ	90°
Cell volume	688.7 ± 1.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1799
Residual factor for significantly intense reflections	0.1072
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1088
Goodness-of-fit parameter for significantly intense reflections	4.53
Goodness-of-fit parameter for all reflections included in the refinement	3.49
Diffraction radiation probe	electron
Diffraction radiation wavelength	0.0335 Å
Diffraction radiation type	electron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
203862 (current)	2017-12-01	cif/ Adding structures of 1548350 via cif-deposit CGI script.	1548350.cif